3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]methyl]-N-methyl-benzamide CAS Name: 3-[[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]methyl]-N-methylbenzamide Traditional Name: 3-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]methyl]-N-methyl-benzamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21N3O2S2/c1-25-22(28)19-6-4-5-17(13-19)14-26-23(29)18-11-9-16(10-12-18)15-30-24-27-20-7-2-3-8-21(20)31-24/h2-13H,14-15H2,1H3,(H,25,28)(H,26,29)